MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000338
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000338
RECORD_TITLE: COPPER DI(3-NITROACETYLACETONATE); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: COPPER DI(3-NITROACETYLACETONATE)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12CuN2O8
CH$EXACT_MASS: 350.98897
CH$SMILES: CC(=O)C([N+1]([O-1])=O)=C(C)O[Cu]OC(C)=C(C(C)=O)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/2C5H7NO4.Cu/c2*1-3(7)5(4(2)8)6(9)10;/h2*7H,1-2H3;/q;;+2/p-2/b2*5-3+;
CH$LINK: INCHIKEY
DRDZHSCSMNUNPW-MSEGBBJSSA-L
AC$INSTRUMENT: HITACHI RMU-6D
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-ed42282a3cdffeaf6383
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
12 0.5 5
13 0.6 6
14 3.4 34
15 0.96 10
16 0.8 8
17 3 30
18 12.4 124
24 0.01 0
25 0.6 6
26 2 20
27 4.2 42
28 1.46 15
29 3.8 38
30 7.8 78
31 1.6 16
32 0.01 0
37 0.4 4
38 1.5 15
39 3.4 34
40 0.15 2
41 3.6 36
42 10 100
43 99.99 999
44 0.2 2
45 7.8 78
46 0.2 2
49 0.1 1
50 0.11 1
51 1.4 14
52 1.1 11
53 0.6 6
54 0.46 5
55 1.6 16
56 0.2 2
57 0.5 5
58 0.14 1
59 0.2 2
60 5.8 58
61 0.3 3
63 0.02 0
67 0.7 7
68 0.4 4
69 6.2 62
70 0.14 1
71 0.8 8
72 1.6 16
73 0.2 2
74 0.02 0
76 0.2 2
77 0.8 8
78 4.2 42
79 0.04 0
81 0.1 1
82 0.2 2
83 0.3 3
84 0.04 0
85 14.2 142
86 1.4 14
87 0.4 4
88 0.02 0
100 10 100
102 0.4 4
104 0.4 4
105 0.01 0
127 1.5 15
128 1.1 11
129 0.4 4
130 0.02 0
134 0.1 1
142 0.5 5
145 0.8 8
//